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ENAMINE-ZINC03547297

 MMsINC code: MMs01501439
Type: Neutral
Formula: C23H30N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)NC(C)c1ccc(cc1)CC(C)C
InChI:   InChI=1/C23H30N2O4S/c1-17(2)15-19-7-9-20(10-8-19)18(3)24-23(26)21-5-4-6-22(16-21)30(27,28)25-11-13-29-14-12-25/h4-10,16-18H,11-15H2,1-3H3,(H,24,26)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.1672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.569 g/mol  logS: -5.85074  SlogP: 3.49247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347053  Sterimol/B1: 2.26486  Sterimol/B2: 4.36042  Sterimol/B3: 5.29007
  Sterimol/B4: 5.73741  Sterimol/L: 21.9514 
 
 Surface and Volume Properties
  Accessible surface: 731.759  Positive charged surface: 474.89  Negative charged surface: 256.87  Volume: 416.75
  Hydrophobic surface: 571.341  Hydrophilic surface: 160.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.